3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide

C14H22N2O2 — CID 55246301

IUPAC3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
SMILESCc1ccc([C@H](C)N)c(OCCC(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-6-12(11(2)15)13(9-10)18-8-7-14(17)16(3)4/h5-6,9,11H,7-8,15H2,1-4H3/t11-/m0/s1
InChIKeyIILXCXCTUGFDHU-NSHDSACASA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds5

About 3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide

3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide (PubChem CID 55246301) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
PubChem CID55246301
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
SMILESCc1ccc([C@H](C)N)c(OCCC(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-6-12(11(2)15)13(9-10)18-8-7-14(17)16(3)4/h5-6,9,11H,7-8,15H2,1-4H3/t11-/m0/s1
InChIKeyIILXCXCTUGFDHU-NSHDSACASA-N
XLogP1.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 63640822
3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63325860
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide
CID 82001215
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63366501
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
CID 78946963
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
2-[2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]ethoxy]ethanol
CID 63650862
2-[2-[2-(1-aminoethyl)-5-methylphenoxy]ethoxy]ethanol
CID 63639091
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
CID 78946993

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide (CID 55246301) is 3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide is Cc1ccc([C@H](C)N)c(OCCC(=O)N(C)C)c1.
What is the InChIKey of 3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide?
The InChIKey is IILXCXCTUGFDHU-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-6-12(11(2)15)13(9-10)18-8-7-14(17)16(3)4/h5-6,9,11H,7-8,15H2,1-4H3/t11-/m0/s1.
What are the key properties of 3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide?
3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 55246301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).